CID 206148

Brn 2157350

Structural Information

Molecular Formula
C21H23NO2
SMILES
CCN(CC)CC1=C(C=CC2=C1C=CC3=CC=CC=C3C2=O)OC
InChI
InChI=1S/C21H23NO2/c1-4-22(5-2)14-19-17-11-10-15-8-6-7-9-16(15)21(23)18(17)12-13-20(19)24-3/h6-13H,4-5,14H2,1-3H3
InChIKey
RRYJDXPRLSPZKM-UHFFFAOYSA-N
Compound name
7-(diethylaminomethyl)-6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.17288 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.18016 175.3
[M+Na]+ 344.16210 183.2
[M-H]- 320.16560 183.8
[M+NH4]+ 339.20670 191.9
[M+K]+ 360.13604 183.9
[M+H-H2O]+ 304.17014 169.6
[M+HCOO]- 366.17108 198.3
[M+CH3COO]- 380.18673 217.9
[M+Na-2H]- 342.14755 180.8
[M]+ 321.17233 179.3
[M]- 321.17343 179.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.